O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride

C16H19ClN2O — CID 90481812

IUPACO-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride
SMILESCl.NOCCN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H18N2O.ClH/c17-19-12-11-18-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)18;/h1-8H,9-12,17H2;1H
InChIKeyLZGCTLGTKCAING-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.24
Rot. Bonds3

About O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride

O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride (PubChem CID 90481812) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride
PubChem CID90481812
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameO-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride
SMILESCl.NOCCN1c2ccccc2CCc2ccccc21
InChIInChI=1S/C16H18N2O.ClH/c17-19-12-11-18-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)18;/h1-8H,9-12,17H2;1H
InChIKeyLZGCTLGTKCAING-UHFFFAOYSA-N
XLogP3.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride?
The IUPAC name of O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride (CID 90481812) is O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride.
What is the SMILES notation for O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride?
The canonical SMILES for O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride is Cl.NOCCN1c2ccccc2CCc2ccccc21.
What is the InChIKey of O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride?
The InChIKey is LZGCTLGTKCAING-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.ClH/c17-19-12-11-18-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)18;/h1-8H,9-12,17H2;1H.
What are the key properties of O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride?
O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethyl]hydroxylamine;hydrochloride is sourced from PubChem (CID 90481812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).